SCHEMBL2558779

SCHEMBL2558779

COc1ccc(-c2nn(C)cc2C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
NLRP3 Q96P20 1/20 0.64
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
DUSP3 P51452 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 3/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TGFBR1 P36897 1/20 0.46
MAPK14 Q16539 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CDK4 P11802 1/20 0.44
CDK2 P24941 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16194556 0.84 KMT2A (0.47) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL17295091 0.82 KMT2A (0.46) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL31626601 0.82 KMT2A (0.49) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL31626656 0.82 SMN1; SMN2 (0.54) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL31626509 0.82 SMN1; SMN2 (0.70) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL16221641 0.81 SMN1; SMN2 (0.56) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL4826104 0.81 KMT2A (0.64) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL869929 0.80 PTGS2 (0.63) KMT2AMEN1NLRP3RAB9ASMN1; SMN2
SCHEMBL15330061 0.80 GAA (0.69) KMT2AMEN1NLRP3LMNAMAPT
SCHEMBL15330287 0.79 KMT2A (0.58) KMT2AMEN1NLRP3RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed